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Basic Description
| Synonyms | SORBITOLHEXAACETATE | DTXSID40884361 | SCHEMBL270042 | (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexayl hexaacetate | AKOS015915918 | D-Glucitol, 1,2,3,4,5,6-hexaacetate | (2R,3R,4R,5S)-1,2,4,5,6-PENTAKIS(ACETYLOXY)HEXAN-3-YL ACETATE | D-Sorbitol hexaacetate | SOR |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Hexacarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hexacarboxylic acids and derivatives |
| Alternative Parents | Monosaccharides Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hexacarboxylic acid or derivatives - Monosaccharide - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488196305 |
|---|---|
| IUPAC Name | [(2S,3R,4R,5R)-2,3,4,5,6-pentaacetyloxyhexyl] acetate |
| INCHI | InChI=1S/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3/t15-,16+,17-,18-/m1/s1 |
| InChIKey | NJVBTKVPPOFGAT-XMTFNYHQSA-N |
| Smiles | CC(=O)OCC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Isomeric SMILES | CC(=O)OC[C@H]([C@H]([C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| WGK Germany | 3 |
| Molecular Weight | 434.39 |
| Reaxy-Rn | 1730435 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730435&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2320215 |
Certificate of Analysis | Feb 07, 2023 | D351651 |
Chemical and Physical Properties
| Specific Rotation[α] | [α]20/D +9.5°, c = 1 in acetone |
|---|---|
| Melt Point(°C) | 100-104℃ |
| Molecular Weight | 434.400 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 17 |
| Exact Mass | 434.142 Da |
| Monoisotopic Mass | 434.142 Da |
| Topological Polar Surface Area | 158.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 600.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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